ChemSpider 2D Image | 3-{[6-Methoxy-2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C22H27N3O3

3-{[6-Methoxy-2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC22H27N3O3
  • Average mass381.468 Da
  • Monoisotopic mass381.205231 Da
  • ChemSpider ID65324108

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-{[6-Methoxy-2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
3-{[6-Methoxy-2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
3-{[6-Méthoxy-2-(3-méthyl-2-butén-1-yl)-1H-indol-3-yl]méthyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[[6-methoxy-2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]- [ACD/Index Name]
(3S,8aS)-3-{[6-Methoxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
171864-80-5 [RN]
C20607
MFCD01862627
tryprostatin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 666.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.8±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.39
ACD/KOC (pH 5.5): 301.21
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.39
ACD/KOC (pH 7.4): 301.21
Polar Surface Area: 74 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 302.0±5.0 cm3

Click to predict properties on the Chemicalize site


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